Crystallography Open Database

Information card for entry 7156589

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Coordinates	7156589.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H53 N O6
Calculated formula	C39 H53 N O6
Title of publication	Meroterpene-like compounds derived from β-caryophyllene as potent α-glucosidase inhibitors
Authors of publication	Ma, Shuang-Jiang; Yu, Jie; Yan, Da-Wei; Wang, Da-Cheng; Gao, Jin-Ming; Zhang, Qiang
Journal of publication	Organic & Biomolecular Chemistry
Year of publication	2018
a	13.9171 ± 0.0003 Å
b	18.5603 ± 0.0004 Å
c	27.189 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	7023.1 ± 0.3 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0452
Residual factor for significantly intense reflections	0.0378
Weighted residual factors for significantly intense reflections	0.0861
Weighted residual factors for all reflections included in the refinement	0.0904
Goodness-of-fit parameter for all reflections included in the refinement	1.058
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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